T-e-y-w-q-a-t-w-i-p-e-w-e

Structural Information

Molecular Formula

C₈₄H₁₀₇N₁₇O₂₄

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C84H107N17O24/c1-6-41(2)70(83(123)101-33-13-20-64(101)80(120)92-57(26-30-66(106)107)74(114)96-62(36-47-39-88-54-18-11-8-15-51(47)54)78(118)94-59(84(124)125)28-32-68(110)111)99-79(119)63(37-48-40-89-55-19-12-9-16-52(48)55)98-82(122)71(44(5)103)100-72(112)42(3)90-73(113)56(25-29-65(85)105)91-77(117)61(35-46-38-87-53-17-10-7-14-50(46)53)97-76(116)60(34-45-21-23-49(104)24-22-45)95-75(115)58(27-31-67(108)109)93-81(121)69(86)43(4)102/h7-12,14-19,21-24,38-44,56-64,69-71,87-89,102-104H,6,13,20,25-37,86H2,1-5H3,(H2,85,105)(H,90,113)(H,91,117)(H,92,120)(H,93,121)(H,94,118)(H,95,115)(H,96,114)(H,97,116)(H,98,122)(H,99,119)(H,100,112)(H,106,107)(H,108,109)(H,110,111)(H,124,125)/t41-,42-,43+,44+,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1

InChIKey

KZLGSOOHZVCNNM-DSBRLCIYSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid

Related CIDs

• CID 16138307